[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[2-(3-methylpyrazol-1-yl)ethylamino]pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[2-(3-methylpyrazol-1-yl)ethylamino]pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(3-methylpyrazol-1-yl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[2-(3-methyl-1-pyrazolyl)ethylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[2-(3-methylpyrazol-1-yl)ethylamino]pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(3-methylpyrazol-1-yl)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCCN3C=CC(=N3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCCN3C=CC(=N3)C

InChI

InChI=1S/C21H32N6O/c1-5-19-15-25(12-13-27(19)16(2)3)21(28)18-6-7-20(23-14-18)22-9-11-26-10-8-17(4)24-26/h6-8,10,14,16,19H,5,9,11-13,15H2,1-4H3,(H,22,23)/p+2/t19-/m0/s1