3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-[(2S)-butan-2-yl]azanium

Systemtic Name: 3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-[(2S)-butan-2-yl]azanium Openeye Name: 3-(3-amino-4-pyrrolidin-1-yl-phenyl)propyl-[(1S)-1-methylpropyl]ammonium CAS Name: 3-[3-amino-4-(1-pyrrolidinyl)phenyl]propyl-[(2S)-butan-2-yl]ammonium IUPAC Name: 3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl-[(2S)-butan-2-yl]azanium Traditional Name: 3-(3-amino-4-pyrrolidino-phenyl)propyl-[(1S)-1-methylpropyl]ammonium Formula: C17H30N3+ MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-3-14(2)19-10-6-7-15-8-9-17(16(18)13-15)20-11-4-5-12-20/h8-9,13-14,19H,3-7,10-12,18H2,1-2H3/p+1/t14-/m0/s1