N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-propyl-benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-propyl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propyl-benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-propylbenzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propyl-benzamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-2-6-18-9-11-20(12-10-18)22(25)23-21-13-15-24(16-14-21)17-19-7-4-3-5-8-19/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)/p+1