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

Systemtic Name: N-butyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H30N2O3/c1-4-5-10-20-19(22)16-8-11-21(12-9-16)14-15-6-7-17(23-2)18(13-15)24-3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,20,22)/p+1