2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-N-(3-methoxypropyl)-6-methyl-quinazolin-3-ium-4-amine

Systemtic Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-N-(3-methoxypropyl)-6-methyl-quinazolin-3-ium-4-amine Openeye Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-N-(3-methoxypropyl)-6-methyl-quinazolin-3-ium-4-amine CAS Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-N-(3-methoxypropyl)-6-methyl-4-quinazolin-3-iumamine IUPAC Name: 2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-N-(3-methoxypropyl)-6-methylquinazolin-3-ium-4-amine Traditional Name: [2-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidino]methyl]-6-methyl-quinazolin-3-ium-4-yl]-(3-methoxypropyl)amine Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)CN3CCCC(C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2NCCCOC)CN3CCC[C@@H](C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N5O2/c1-18-10-11-21-20(15-18)25(27-12-6-14-32-2)30-24(28-21)17-31-13-5-7-19(16-31)26-29-22-8-3-4-9-23(22)33-26/h3-4,8-11,15,19H,5-7,12-14,16-17H2,1-2H3,(H,27,28,30)/p+1/t19-/m0/s1