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

Systemtic Name: 3,4-dimethoxy-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3,4-dimethoxy-benzamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-11-10-17(13-20(19)26-2)21(24)22-18-9-6-12-23(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1