N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-propan-2-yl-benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-propan-2-yl-benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-isopropyl-benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1-propan-2-yl-5-benzimidazolyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-isopropyl-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C22H30N5OS+ MolecularWeight: 412.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N5OS/c1-4-25-9-11-26(12-10-25)15-21-24-18-14-17(7-8-19(18)27(21)16(2)3)23-22(28)20-6-5-13-29-20/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,23,28)/p+1