3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]aniline

Systemtic Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]aniline Openeye Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]aniline CAS Name: 3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]aniline IUPAC Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]aniline Traditional Name: [3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]amine Formula: C12H19N2+ MolecularWeight: 191.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N)[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)N)[NH+]2CCCC2

InChI

InChI=1S/C12H18N2/c1-10(14-7-2-3-8-14)11-5-4-6-12(13)9-11/h4-6,9-10H,2-3,7-8,13H2,1H3/p+1/t10-/m0/s1