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

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-4-25-19(24)22-11-9-16(10-12-22)20-18(23)14-21(2)13-15-5-7-17(26-3)8-6-15/h5-8,16H,4,9-14H2,1-3H3,(H,20,23)/p+1