(3S)-1-[1-(1-methylcyclopropyl)carbonylpiperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1-methylcyclopropyl)carbonylpiperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(1-methylcyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(1-methylcyclopropyl)-oxomethyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(1-methylcyclopropanecarbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1(CC1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H33N3O2/c1-23(11-12-23)22(28)25-14-9-20(10-15-25)26-13-5-8-19(17-26)21(27)24-16-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,24,27)/p+1/t19-/m0/s1