N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-ylidene]methanamine

Systemtic Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-ylidene]methanamine Openeye Name: N-methyl-1-phenyl-1-[4-(2-thienylmethyl)piperazine-1,4-diium-1-ylidene]methanamine CAS Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumylidene]methanamine IUPAC Name: N-methyl-1-phenyl-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-ylidene]methanamine Traditional Name: methyl-[phenyl-[4-(2-thenyl)piperazine-1,4-diium-1-ylidene]methyl]amine Formula: C17H23N3S+2 MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=[N+]1CC[NH+](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+2