N-cyclopentyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopentyl-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)OC

InChI

InChI=1S/C20H30N2O3/c1-24-18-8-7-15(13-19(18)25-2)14-22-11-9-16(10-12-22)20(23)21-17-5-3-4-6-17/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,21,23)/p+1