1-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C17H29N3+2 MolecularWeight: 275.43226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CC[NH2+]CC2)[NH+]3CCCC3

InChI

InChI=1S/C17H27N3/c1-15-4-6-16(7-5-15)17(20-10-2-3-11-20)14-19-12-8-18-9-13-19/h4-7,17-18H,2-3,8-14H2,1H3/p+2/t17-/m0/s1