3-[3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-(3-amino-4-pyrrolidin-1-yl-phenyl)propanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[3-[3-amino-4-(1-pyrrolidinyl)phenyl]-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(3-amino-4-pyrrolidin-1-ylphenyl)propanoylamino]propyl-dimethylazanium Traditional Name: 3-[3-(3-amino-4-pyrrolidino-phenyl)propanoylamino]propyl-dimethyl-ammonium Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CCC1=CC(=C(C=C1)N2CCCC2)N

Isomeric SMILES

C[NH+](C)CCCNC(=O)CCC1=CC(=C(C=C1)N2CCCC2)N

InChI

InChI=1S/C18H30N4O/c1-21(2)11-5-10-20-18(23)9-7-15-6-8-17(16(19)14-15)22-12-3-4-13-22/h6,8,14H,3-5,7,9-13,19H2,1-2H3,(H,20,23)/p+1