[3-methoxy-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]azanium dichloride

Systemtic Name: [3-methoxy-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]azanium dichloride Openeye Name: [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxy-phenyl]ammonium dichloride CAS Name: [3-methoxy-4-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]phenyl]ammonium dichloride IUPAC Name: [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride Traditional Name: [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxy-phenyl]ammonium dichloride Formula: C20H27Cl2N3O2 MolecularWeight: 412.35328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[NH3+])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)[NH3+])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C20H25N3O2.2ClH/c1-25-19-13-16(21)7-8-18(19)20(24)22-17-9-11-23(12-10-17)14-15-5-3-2-4-6-15;;/h2-8,13,17H,9-12,14,21H2,1H3,(H,22,24);2*1H