[(3S)-3-[methyl(propan-2-yl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-3-[methyl(propan-2-yl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-benzyl-3-[isopropyl(methyl)amino]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-[methyl(propan-2-yl)amino]-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-benzyl-3-[methyl(propan-2-yl)amino]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-benzyl-3-[isopropyl(methyl)amino]pyrrolidin-1-ium-3-yl]methylammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-14(2)18(3)16(12-17)9-10-19(13-16)11-15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3/p+2/t16-/m0/s1