3,4-dimethoxy-N-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]ethyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]ethyl]-3,4-dimethoxy-benzamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCNC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCNC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O3/c1-28-21-9-8-19(16-22(21)29-2)23(27)25-13-12-24-20-10-14-26(15-11-20)17-18-6-4-3-5-7-18/h3-9,16,20,24H,10-15,17H2,1-2H3,(H,25,27)/p+1