[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(2-pyridyl)ethyl]ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-[(2R)-1-(2-pyridinyl)propan-2-yl]ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-[(2R)-1-pyridin-2-ylpropan-2-yl]azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(2-pyridyl)ethyl]ammonium Formula: C26H39N5O+2 MolecularWeight: 437.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(C)CC4=CC=CC=N4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+][C@H](C)CC4=CC=CC=N4

InChI

InChI=1S/C26H37N5O/c1-3-29-16-18-31(19-17-29)26(32)22-7-9-25(10-8-22)30-14-11-23(12-15-30)28-21(2)20-24-6-4-5-13-27-24/h4-10,13,21,23,28H,3,11-12,14-20H2,1-2H3/p+2/t21-/m1/s1