N-[3-[(1S)-1-phenylethoxy]propyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[3-[(1S)-1-phenylethoxy]propyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[3-[(1S)-1-phenylethoxy]propyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[3-[(1S)-1-phenylethoxy]propyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[3-[(1S)-1-phenylethoxy]propyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[3-[(1S)-1-phenylethoxy]propyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2/c1-20(22-9-4-2-5-10-22)28-18-8-15-25-24(27)23-13-11-21(12-14-23)19-26-16-6-3-7-17-26/h2,4-5,9-14,20H,3,6-8,15-19H2,1H3,(H,25,27)/p+1/t20-/m0/s1