N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-17-9-10-18(2)22(15-17)19(3)24-23(26)21-11-13-25(14-12-21)16-20-7-5-4-6-8-20/h4-10,15,19,21H,11-14,16H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1