(3S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(2-methylpropanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-isobutyryl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2/c1-17(2)22(27)24-13-10-20(11-14-24)25-12-6-9-19(16-25)21(26)23-15-18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,6,9-16H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1