4-methyl-4-oxidanidyl-N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-4-oxidanidyl-N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl]piperazin-4-ium-1-carboxamide Openeye Name: N-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]-4-methyl-4-oxido-piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-4-oxido-N-[2-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-1H-indol-5-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-4-oxido-N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]piperazin-4-ium-1-carboxamide Traditional Name: N-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]-4-methyl-4-oxido-piperazin-4-ium-1-carboxamide Formula: C27H36N8O3 MolecularWeight: 520.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)N5CC[N+](CC5)(C)[O-]

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)N5CC[N+](CC5)(C)[O-]

InChI

InChI=1S/C27H36N8O3/c1-19(2)29-23-5-4-8-28-25(23)32-9-11-33(12-10-32)26(36)24-18-20-17-21(6-7-22(20)31-24)30-27(37)34-13-15-35(3,38)16-14-34/h4-8,17-19,29,31H,9-16H2,1-3H3,(H,30,37)