4-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-pyrrolidin-1-yl-quinazolin-3-ium

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-pyrrolidin-1-yl-quinazolin-3-ium Openeye Name: 4-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-pyrrolidin-1-yl-quinazolin-3-ium CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperazin-4-iumyl]-2-(1-pyrrolidinyl)quinazolin-3-ium IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-pyrrolidin-1-ylquinazolin-3-ium Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-pyrrolidino-quinazolin-3-ium Formula: C18H27N5+2 MolecularWeight: 313.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=[NH+]C(=NC3=CC=CC=C32)N4CCCC4

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)C2=[NH+]C(=NC3=CC=CC=C32)N4CCCC4

InChI

InChI=1S/C18H25N5/c1-13-11-23(12-14(2)19-13)17-15-7-3-4-8-16(15)20-18(21-17)22-9-5-6-10-22/h3-4,7-8,13-14,19H,5-6,9-12H2,1-2H3/p+2/t13-,14-/m0/s1