N-(phenylmethyl)-N-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]aniline

Systemtic Name: N-(phenylmethyl)-N-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]aniline Openeye Name: N-benzyl-N-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]aniline CAS Name: N-(phenylmethyl)-N-[[(2S)-2-pyrrolidin-1-iumyl]methyl]aniline IUPAC Name: N-benzyl-N-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]aniline Traditional Name: benzyl-phenyl-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]amine Formula: C18H23N2+ MolecularWeight: 267.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-20(15-17-10-7-13-19-17)18-11-5-2-6-12-18/h1-6,8-9,11-12,17,19H,7,10,13-15H2/p+1/t17-/m0/s1