3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-7-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-7-methyl-quinazolin-4-one Openeye Name: 3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-7-methyl-quinazolin-4-one CAS Name: 3-[3-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]propyl]-7-methyl-4-quinazolinone IUPAC Name: 3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]-7-methylquinazolin-4-one Traditional Name: 7-methyl-3-[3-[(3S)-3-methylolpiperidin-1-ium-1-yl]propyl]quinazolin-4-one Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC[NH+]3CCCC(C3)CO

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC[NH+]3CCC[C@@H](C3)CO

InChI

InChI=1S/C18H25N3O2/c1-14-5-6-16-17(10-14)19-13-21(18(16)23)9-3-8-20-7-2-4-15(11-20)12-22/h5-6,10,13,15,22H,2-4,7-9,11-12H2,1H3/p+1/t15-/m0/s1