[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H34N3O5+ MolecularWeight: 408.51176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2CCN(CC2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2CCN(CC2)C(=O)OCC)OC

InChI

InChI=1S/C21H33N3O5/c1-5-28-18-8-7-16(13-19(18)27-4)14-23(3)15-20(25)22-17-9-11-24(12-10-17)21(26)29-6-2/h7-8,13,17H,5-6,9-12,14-15H2,1-4H3,(H,22,25)/p+1