4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]thieno[3,2-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3SC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3SC=C4

InChI

InChI=1S/C19H22N4S/c1-15-3-5-16(6-4-15)13-22-8-2-9-23(11-10-22)19-18-17(7-12-24-18)20-14-21-19/h3-7,12,14H,2,8-11,13H2,1H3/p+1