1-benzothiophen-2-ylmethyl-[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]ammonium Formula: C27H36N4OS+2 MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H34N4OS/c1-2-29-15-17-31(18-16-29)27(32)21-7-9-24(10-8-21)30-13-11-23(12-14-30)28-20-25-19-22-5-3-4-6-26(22)33-25/h3-10,19,23,28H,2,11-18,20H2,1H3/p+2