4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C23H27ClN5+ MolecularWeight: 408.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H26ClN5/c24-18-6-5-7-19(16-18)28-12-14-29(15-13-28)23-20-8-1-2-9-21(20)25-22(26-23)17-27-10-3-4-11-27/h1-2,5-9,16H,3-4,10-15,17H2/p+1