6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)piperidin-1-ium-1-yl]azepan-1-yl]-4-methyl-quinazoline

Systemtic Name: 6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)piperidin-1-ium-1-yl]azepan-1-yl]-4-methyl-quinazoline Openeye Name: 6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)piperidin-1-ium-1-yl]azepan-1-yl]-4-methyl-quinazoline CAS Name: 6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)-1-piperidin-1-iumyl]-1-azepanyl]-4-methylquinazoline IUPAC Name: 6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)piperidin-1-ium-1-yl]azepan-1-yl]-4-methylquinazoline Traditional Name: 6-ethoxy-2-[(4S)-4-[4-(2-methoxyethoxy)piperidin-1-ium-1-yl]azepan-1-yl]-4-methyl-quinazoline Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH+]4CCC(CC4)OCCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH+]4CCC(CC4)OCCOC

InChI

InChI=1S/C25H38N4O3/c1-4-31-22-7-8-24-23(18-22)19(2)26-25(27-24)29-12-5-6-20(9-13-29)28-14-10-21(11-15-28)32-17-16-30-3/h7-8,18,20-21H,4-6,9-17H2,1-3H3/p+1/t20-/m0/s1