1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C19H18ClN2O4+ MolecularWeight: 373.81022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H17ClN2O4/c1-11-2-4-13(7-14(11)20)22-18(23)8-15(19(22)24)21-9-12-3-5-16-17(6-12)26-10-25-16/h2-7,15,21H,8-10H2,1H3/p+1/t15-/m0/s1