N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-ylidene]methanamine

Systemtic Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-ylidene]methanamine Openeye Name: N-methyl-1-phenyl-1-[4-(2-thienylmethyl)piperazin-1-ium-1-ylidene]methanamine CAS Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumylidene]methanamine IUPAC Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-ylidene]methanamine Traditional Name: methyl-[phenyl-[4-(2-thenyl)piperazin-1-ium-1-ylidene]methyl]amine Formula: C17H22N3S+ MolecularWeight: 300.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+]1CCN(CC1)CC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CNC(=[N+]1CCN(CC1)CC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-18-17(15-6-3-2-4-7-15)20-11-9-19(10-12-20)14-16-8-5-13-21-16/h2-8,13H,9-12,14H2,1H3/p+1