[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-(2-indol-1-ylethyl)azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-(2-indol-1-ylethyl)azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-(2-indol-1-ylethyl)ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-[2-(1-indolyl)ethyl]ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-(2-indol-1-ylethyl)azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-(2-indol-1-ylethyl)ammonium Formula: C28H39N5O+2 MolecularWeight: 461.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCN4C=CC5=CC=CC=C54

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCN4C=CC5=CC=CC=C54

InChI

InChI=1S/C28H37N5O/c1-2-30-19-21-33(22-20-30)28(34)24-7-9-26(10-8-24)31-16-12-25(13-17-31)29-14-18-32-15-11-23-5-3-4-6-27(23)32/h3-11,15,25,29H,2,12-14,16-22H2,1H3/p+2