1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]piperidin-4-ol

Systemtic Name: 1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]piperidin-4-ol Openeye Name: 1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]piperidin-4-ol CAS Name: 1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]-4-piperidinol IUPAC Name: 1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]piperidin-4-ol Traditional Name: 1-[(5S)-5-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-3-ium-2-yl]piperidin-4-ol Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)CNC2CC(CC3=NC(=[NH+]C=C23)N4CCC(CC4)O)(C)C)C

Isomeric SMILES

CC1=[N+](C(=CN1)CN[C@H]2CC(CC3=NC(=[NH+]C=C23)N4CCC(CC4)O)(C)C)C

InChI

InChI=1S/C21H32N6O/c1-14-22-11-15(26(14)4)12-23-18-9-21(2,3)10-19-17(18)13-24-20(25-19)27-7-5-16(28)6-8-27/h11,13,16,18,23,28H,5-10,12H2,1-4H3/p+2/t18-/m0/s1