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

Systemtic Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O2/c1-17(20-8-4-5-9-21(20)26-2)23-22(25)19-12-10-18(11-13-19)16-24-14-6-3-7-15-24/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1