4-(azepan-1-yl)-2-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]quinazoline

Systemtic Name: 4-(azepan-1-yl)-2-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]quinazoline Openeye Name: 4-(azepan-1-yl)-2-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]quinazoline CAS Name: 4-(1-azepanyl)-2-[[(3S)-3-(methoxymethyl)-1-piperidin-1-iumyl]methyl]quinazoline IUPAC Name: 4-(azepan-1-yl)-2-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]quinazoline Traditional Name: 4-(azepan-1-yl)-2-[[(3S)-3-(methoxymethyl)piperidin-1-ium-1-yl]methyl]quinazoline Formula: C22H33N4O+ MolecularWeight: 369.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCCCCC4

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCCCCC4

InChI

InChI=1S/C22H32N4O/c1-27-17-18-9-8-12-25(15-18)16-21-23-20-11-5-4-10-19(20)22(24-21)26-13-6-2-3-7-14-26/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3/p+1/t18-/m0/s1