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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-3-9-21(12-15-5-6-16(19)26-15)13-17(23)20-14-7-10-22(11-8-14)18(24)25-4-2/h3,5-6,14H,1,4,7-13H2,2H3,(H,20,23)/p+1