(3S)-N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-benzyl-N-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidin-1-ium-3-carboxamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCC[NH+](C2)CC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C25H32N2O3/c1-29-23-14-13-21(16-24(23)30-22-11-5-6-12-22)26-25(28)20-10-7-15-27(18-20)17-19-8-3-2-4-9-19/h2-4,8-9,13-14,16,20,22H,5-7,10-12,15,17-18H2,1H3,(H,26,28)/p+1/t20-/m0/s1