[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-(quinolin-6-ylmethyl)azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-(quinolin-6-ylmethyl)azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-(6-quinolylmethyl)ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-(6-quinolinylmethyl)ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-(quinolin-6-ylmethyl)azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-(6-quinolylmethyl)ammonium Formula: C28H37N5O+2 MolecularWeight: 459.62628

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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=C(C=C4)N=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C28H35N5O/c1-2-31-16-18-33(19-17-31)28(34)23-6-8-26(9-7-23)32-14-11-25(12-15-32)30-21-22-5-10-27-24(20-22)4-3-13-29-27/h3-10,13,20,25,30H,2,11-12,14-19,21H2,1H3/p+2