N-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopentyl-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-25-18-9-8-16(19(26-2)20(18)27-3)14-23-12-10-15(11-13-23)21(24)22-17-6-4-5-7-17/h8-9,15,17H,4-7,10-14H2,1-3H3,(H,22,24)/p+1