N'-butyl-N-phenyl-1-pyrrolidin-1-ium-1-ylidene-N'-(thiophen-2-ylmethyl)methanediamine

Systemtic Name: N'-butyl-N-phenyl-1-pyrrolidin-1-ium-1-ylidene-N'-(thiophen-2-ylmethyl)methanediamine Openeye Name: N'-butyl-N-phenyl-1-pyrrolidin-1-ium-1-ylidene-N'-(2-thienylmethyl)methanediamine CAS Name: N'-butyl-N-phenyl-1-(1-pyrrolidin-1-iumylidene)-N'-(thiophen-2-ylmethyl)methanediamine IUPAC Name: N'-butyl-N-phenyl-1-pyrrolidin-1-ium-1-ylidene-N'-(thiophen-2-ylmethyl)methanediamine Traditional Name: [anilino(pyrrolidin-1-ium-1-ylidene)methyl]-butyl-(2-thenyl)amine Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C(=[N+]2CCCC2)NC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC1=CC=CS1)C(=[N+]2CCCC2)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N3S/c1-2-3-13-23(17-19-12-9-16-24-19)20(22-14-7-8-15-22)21-18-10-5-4-6-11-18/h4-6,9-12,16H,2-3,7-8,13-15,17H2,1H3/p+1