[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H31N3O4/c1-4-14-28-19-8-6-17(7-9-19)15-23(3)16-20(25)22-18-10-12-24(13-11-18)21(26)27-5-2/h4,6-9,18H,1,5,10-16H2,2-3H3,(H,22,25)/p+1