2-[(2S)-1-butyl-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 2-[(2S)-1-butyl-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 2-[(2S)-1-butyl-5-oxo-pyrrolidin-2-yl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: 2-[(2S)-1-butyl-5-oxo-2-pyrrolidinyl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: 2-[(2S)-1-butyl-5-oxopyrrolidin-2-yl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: 2-[(2S)-1-butyl-5-keto-pyrrolidin-2-yl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CCC1=O)CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CCCCN1[C@@H](CCC1=O)CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C18H25ClN2O3/c1-2-3-8-21-14(4-5-18(21)22)6-7-20-11-13-9-16-17(10-15(13)19)24-12-23-16/h9-10,14,20H,2-8,11-12H2,1H3/p+1/t14-/m0/s1