[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O/c1-27-16-13-23(14-17-27)28(2)24-11-10-22(19-26-24)25(30)29-15-6-9-21(12-18-29)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21,23H,6,9,12-18H2,1-2H3/p+2/t21-/m0/s1