2-chloranyl-4-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-chloranyl-4-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]quinazoline Openeye Name: 2-chloro-4-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]quinazoline CAS Name: 2-chloro-4-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]quinazoline IUPAC Name: 2-chloro-4-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]quinazoline Traditional Name: 2-chloro-4-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]quinazoline Formula: C14H18ClN4+ MolecularWeight: 277.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=NC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C2=NC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C14H17ClN4/c1-9-7-19(8-10(2)16-9)13-11-5-3-4-6-12(11)17-14(15)18-13/h3-6,9-10,16H,7-8H2,1-2H3/p+1/t9-,10-/m1/s1