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

Systemtic Name: 3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-(3-methylbutyl)azanium Openeye Name: 3-(3-amino-4-pyrrolidin-1-yl-phenyl)propyl-isopentyl-ammonium CAS Name: 3-[3-amino-4-(1-pyrrolidinyl)phenyl]propyl-(3-methylbutyl)ammonium IUPAC Name: 3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl-(3-methylbutyl)azanium Traditional Name: 3-(3-amino-4-pyrrolidino-phenyl)propyl-isoamyl-ammonium Formula: C18H32N3+ MolecularWeight: 290.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-15(2)9-11-20-10-5-6-16-7-8-18(17(19)14-16)21-12-3-4-13-21/h7-8,14-15,20H,3-6,9-13,19H2,1-2H3/p+1