3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-hexyl-azanium

Systemtic Name: 3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-hexyl-azanium Openeye Name: 3-(3-amino-4-pyrrolidin-1-yl-phenyl)propyl-hexyl-ammonium CAS Name: 3-[3-amino-4-(1-pyrrolidinyl)phenyl]propyl-hexylammonium IUPAC Name: 3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl-hexylazanium Traditional Name: 3-(3-amino-4-pyrrolidino-phenyl)propyl-hexyl-ammonium Formula: C19H34N3+ MolecularWeight: 304.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CCCC1=CC(=C(C=C1)N2CCCC2)N

Isomeric SMILES

CCCCCC[NH2+]CCCC1=CC(=C(C=C1)N2CCCC2)N

InChI

InChI=1S/C19H33N3/c1-2-3-4-5-12-21-13-8-9-17-10-11-19(18(20)16-17)22-14-6-7-15-22/h10-11,16,21H,2-9,12-15,20H2,1H3/p+1