[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O/c1-25-14-16-26(17-15-25)22-10-9-21(18-24-22)23(28)27-12-5-8-20(11-13-27)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/p+2/t20-/m0/s1