(3S)-N,N-dimethyl-1-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N,N-dimethyl-1-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]pyrrolidin-1-ium-3-amine Openeye Name: (3S)-N,N-dimethyl-1-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N,N-dimethyl-1-[1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-N,N-dimethyl-1-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]pyrrolidin-1-ium-3-amine Traditional Name: dimethyl-[(3S)-1-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]pyrrolidin-1-ium-3-yl]amine Formula: C22H34N5+ MolecularWeight: 368.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH+]4CCC(C4)N(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH+]4CC[C@@H](C4)N(C)C)C)C

InChI

InChI=1S/C22H33N5/c1-15-12-20-17(3)23-22(24-21(20)13-16(15)2)26-9-6-18(7-10-26)27-11-8-19(14-27)25(4)5/h12-13,18-19H,6-11,14H2,1-5H3/p+1/t19-/m0/s1