3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Openeye Name: 3-[4-(4-ethylpiperazin-1-ium-1-yl)-1-piperidyl]-5-(4-methoxyphenyl)-1,2,4-triazine CAS Name: 3-[4-(4-ethyl-1-piperazin-1-iumyl)-1-piperidinyl]-5-(4-methoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Traditional Name: 3-[4-(4-ethylpiperazin-1-ium-1-yl)piperidino]-5-(4-methoxyphenyl)-1,2,4-triazine Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1CC[NH+](CC1)C2CCN(CC2)C3=NC(=CN=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H30N6O/c1-3-25-12-14-26(15-13-25)18-8-10-27(11-9-18)21-23-20(16-22-24-21)17-4-6-19(28-2)7-5-17/h4-7,16,18H,3,8-15H2,1-2H3/p+1