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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-18(20-8-4-2-5-9-20)16-23-22(25)21-12-10-19(11-13-21)17-24-14-6-3-7-15-24/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,23,25)/p+1/t18-/m1/s1