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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O3/c1-31-26-18-23(13-14-25(26)32-21-22-10-5-4-6-11-22)19-28-15-9-12-24(20-28)27(30)29-16-7-2-3-8-17-29/h4-6,10-11,13-14,18,24H,2-3,7-9,12,15-17,19-21H2,1H3/p+1/t24-/m1/s1