N-cyclopentyl-1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopentyl-1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopentyl-1-(4-ethoxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)OC

InChI

InChI=1S/C21H32N2O3/c1-3-26-19-9-8-16(14-20(19)25-2)15-23-12-10-17(11-13-23)21(24)22-18-6-4-5-7-18/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3,(H,22,24)/p+1