(3S)-1-(1-cyclobutylcarbonylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclobutylcarbonylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclobutanecarbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclobutyl(oxo)methyl]-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclobutanecarbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H35N3O2/c28-23(25-14-11-19-6-2-1-3-7-19)21-10-5-15-27(18-21)22-12-16-26(17-13-22)24(29)20-8-4-9-20/h1-3,6-7,20-22H,4-5,8-18H2,(H,25,28)/p+1/t21-/m0/s1