2-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]piperazin-1-yl]ethylazanium

Systemtic Name: 2-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]piperazin-1-yl]ethylazanium Openeye Name: 2-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperazin-1-yl]ethylammonium CAS Name: 2-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]-1-piperazinyl]ethylammonium IUPAC Name: 2-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperazin-1-yl]ethylazanium Traditional Name: 2-[4-[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]piperazino]ethylammonium Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC[NH3+])CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)CC[NH3+])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN5O/c1-13-16(12-14-2-4-15(19)5-3-14)17(25)22-18(21-13)24-10-8-23(7-6-20)9-11-24/h2-5H,6-12,20H2,1H3,(H,21,22,25)/p+1