N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O/c1-21-11-12-22(2)24(19-21)20-30-17-14-25(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-23-7-4-3-5-8-23/h3-5,7-8,11-13,16,19,25H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32)/p+1