1-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1R)-1-(phenylcarbamoyl)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-anilino-1-oxobutan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-anilino-1-oxobutan-2-yl]-N-benzylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1R)-1-(phenylcarbamoyl)propyl]piperidin-1-ium-4-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-2-21(23(28)25-20-11-7-4-8-12-20)26-15-13-19(14-16-26)22(27)24-17-18-9-5-3-6-10-18/h3-12,19,21H,2,13-17H2,1H3,(H,24,27)(H,25,28)/p+1/t21-/m1/s1