2-methyl-1-(phenylmethyl)-4-piperidin-4-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium

Systemtic Name: 2-methyl-1-(phenylmethyl)-4-piperidin-4-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium Openeye Name: 1-benzyl-2-methyl-4-(4-piperidyl)-1-(2-thienylmethyl)benzimidazol-1-ium CAS Name: 2-methyl-1-(phenylmethyl)-4-(4-piperidinyl)-1-(thiophen-2-ylmethyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-2-methyl-4-piperidin-4-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-2-methyl-4-(4-piperidyl)-1-(2-thenyl)benzimidazol-1-ium Formula: C25H28N3S+ MolecularWeight: 402.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC=C3)CC4=CC=CS4)C5CCNCC5

Isomeric SMILES

CC1=NC2=C(C=CC=C2[N+]1(CC3=CC=CC=C3)CC4=CC=CS4)C5CCNCC5

InChI

InChI=1S/C25H28N3S/c1-19-27-25-23(21-12-14-26-15-13-21)10-5-11-24(25)28(19,18-22-9-6-16-29-22)17-20-7-3-2-4-8-20/h2-11,16,21,26H,12-15,17-18H2,1H3/q+1