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

Systemtic Name: [(3S)-3-[butyl(ethyl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-benzyl-3-[butyl(ethyl)amino]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-[butyl(ethyl)amino]-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-benzyl-3-[butyl(ethyl)amino]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-benzyl-3-[butyl(ethyl)amino]pyrrolidin-1-ium-3-yl]methylammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-3-5-12-21(4-2)18(15-19)11-13-20(16-18)14-17-9-7-6-8-10-17/h6-10H,3-5,11-16,19H2,1-2H3/p+2/t18-/m0/s1