N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[2-(1-azepanyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-(3-methoxypropyl)-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2,5-dimethyl-pyrazole-3-carboxamide Formula: C27H38N5O2+ MolecularWeight: 464.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C3=CC(=NN3C)C)N4CCCCCC4

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C3=CC(=NN3C)C)N4CCCCCC4

InChI

InChI=1S/C27H37N5O2/c1-20-10-11-22-18-23(26(28-24(22)16-20)31-12-7-5-6-8-13-31)19-32(14-9-15-34-4)27(33)25-17-21(2)29-30(25)3/h10-11,16-18H,5-9,12-15,19H2,1-4H3/p+1