[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidino]methanone Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H36N2O3/c1-21-7-6-14-29(18-21)27(30)24-12-15-28(16-13-24)19-23-10-11-25(26(17-23)31-2)32-20-22-8-4-3-5-9-22/h3-5,8-11,17,21,24H,6-7,12-16,18-20H2,1-2H3/p+1/t21-/m0/s1