N-[(1S)-1-(2-methylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(o-tolyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(o-tolyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O/c1-17-8-4-5-9-21(17)18(2)23-22(25)20-12-10-19(11-13-20)16-24-14-6-3-7-15-24/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1