(3S)-1-(phenylmethyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-1-(phenylmethyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(1R)-1-(4-pyridyl)ethyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-1-(phenylmethyl)-N-[(1R)-1-pyridin-4-ylethyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(1R)-1-(4-pyridyl)ethyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=NC=C1)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3/c1-15(17-7-10-19-11-8-17)20-18-9-12-21(14-18)13-16-5-3-2-4-6-16/h2-8,10-11,15,18,20H,9,12-14H2,1H3/p+1/t15-,18+/m1/s1