2-[4-(1-methyl-3H-indol-1-ium-3-yl)piperidin-1-yl]-N-[(4-phenylpiperazin-1-yl)methyl]ethanamide

Systemtic Name: 2-[4-(1-methyl-3H-indol-1-ium-3-yl)piperidin-1-yl]-N-[(4-phenylpiperazin-1-yl)methyl]ethanamide Openeye Name: 2-[4-(1-methyl-3H-indol-1-ium-3-yl)-1-piperidyl]-N-[(4-phenylpiperazin-1-yl)methyl]acetamide CAS Name: 2-[4-(1-methyl-3H-indol-1-ium-3-yl)-1-piperidinyl]-N-[(4-phenyl-1-piperazinyl)methyl]acetamide IUPAC Name: 2-[4-(1-methyl-3H-indol-1-ium-3-yl)piperidin-1-yl]-N-[(4-phenylpiperazin-1-yl)methyl]acetamide Traditional Name: 2-[4-(1-methyl-3H-indol-1-ium-3-yl)piperidino]-N-[(4-phenylpiperazino)methyl]acetamide Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(C2=CC=CC=C21)C3CCN(CC3)CC(=O)NCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1=CC(C2=CC=CC=C21)C3CCN(CC3)CC(=O)NCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-29-19-25(24-9-5-6-10-26(24)29)22-11-13-30(14-12-22)20-27(33)28-21-31-15-17-32(18-16-31)23-7-3-2-4-8-23/h2-10,19,22,25H,11-18,20-21H2,1H3/p+1