azepan-1-yl-[1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C23H32ClN4O+ MolecularWeight: 415.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H31ClN4O/c1-18-21(22(24)28(25-18)20-9-5-4-6-10-20)17-26-15-11-19(12-16-26)23(29)27-13-7-2-3-8-14-27/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3/p+1