N-[4-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]cyclopentanecarboxamide

Systemtic Name: N-[4-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]cyclopentanecarboxamide Openeye Name: N-[4-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]-1-piperidyl]phenyl]cyclopentanecarboxamide CAS Name: N-[4-[4-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[4-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]cyclopentanecarboxamide Traditional Name: N-[4-[4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-ium-1-yl]piperidino]phenyl]cyclopentanecarboxamide Formula: C27H39N6O+ MolecularWeight: 463.63816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CC[NH+](CC2)C3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5CCCC5)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CC[NH+](CC2)C3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5CCCC5)C

InChI

InChI=1S/C27H38N6O/c1-20-19-28-21(2)26(29-20)33-17-15-32(16-18-33)25-11-13-31(14-12-25)24-9-7-23(8-10-24)30-27(34)22-5-3-4-6-22/h7-10,19,22,25H,3-6,11-18H2,1-2H3,(H,30,34)/p+1