[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-23(13-16-6-2-3-7-18(16)24-10-4-5-11-24)14-21(25)22-17-8-9-19-20(12-17)27-15-26-19/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,22,25)/p+1