N'-butyl-N,N'-diphenyl-1-pyrrolidin-1-ium-1-ylidene-methanediamine

Systemtic Name: N'-butyl-N,N'-diphenyl-1-pyrrolidin-1-ium-1-ylidene-methanediamine Openeye Name: N'-butyl-N,N'-diphenyl-1-pyrrolidin-1-ium-1-ylidene-methanediamine CAS Name: N'-butyl-N,N'-diphenyl-1-(1-pyrrolidin-1-iumylidene)methanediamine IUPAC Name: N'-butyl-N,N'-diphenyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine Traditional Name: [anilino(pyrrolidin-1-ium-1-ylidene)methyl]-butyl-phenyl-amine Formula: C21H28N3+ MolecularWeight: 322.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=[N+]2CCCC2)NC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=[N+]2CCCC2)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3/c1-2-3-18-24(20-14-8-5-9-15-20)21(23-16-10-11-17-23)22-19-12-6-4-7-13-19/h4-9,12-15H,2-3,10-11,16-18H2,1H3/p+1