[(3S)-3-[butyl(methyl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-3-[butyl(methyl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-benzyl-3-[butyl(methyl)amino]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-[butyl(methyl)amino]-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-benzyl-3-[butyl(methyl)amino]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-benzyl-3-[butyl(methyl)amino]pyrrolidin-1-ium-3-yl]methylammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1(CC[NH+](C1)CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CCCCN(C)[C@@]1(CC[NH+](C1)CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C17H29N3/c1-3-4-11-19(2)17(14-18)10-12-20(15-17)13-16-8-6-5-7-9-16/h5-9H,3-4,10-15,18H2,1-2H3/p+2/t17-/m0/s1