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

Systemtic Name: (3S)-1-[1-(1-methylcyclopropyl)carbonylpiperidin-4-yl]-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1-methylcyclopropanecarbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(1-methylcyclopropyl)-oxomethyl]-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1-methylcyclopropanecarbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1(CC1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H35N3O2/c1-24(12-13-24)23(29)26-16-10-21(11-17-26)27-15-5-8-20(18-27)22(28)25-14-9-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,25,28)/p+1/t20-/m0/s1