dicyclopropylmethyl-[1-[4-[(2,4-dimethylphenyl)carbonylamino]phenyl]piperidin-4-yl]azanium

Systemtic Name: dicyclopropylmethyl-[1-[4-[(2,4-dimethylphenyl)carbonylamino]phenyl]piperidin-4-yl]azanium Openeye Name: dicyclopropylmethyl-[1-[4-[(2,4-dimethylbenzoyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: dicyclopropylmethyl-[1-[4-[[(2,4-dimethylphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: dicyclopropylmethyl-[1-[4-[(2,4-dimethylbenzoyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: dicyclopropylmethyl-[1-[4-[(2,4-dimethylbenzoyl)amino]phenyl]-4-piperidyl]ammonium Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(C4CC4)C5CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(C4CC4)C5CC5)C

InChI

InChI=1S/C27H35N3O/c1-18-3-12-25(19(2)17-18)27(31)29-22-8-10-24(11-9-22)30-15-13-23(14-16-30)28-26(20-4-5-20)21-6-7-21/h3,8-12,17,20-21,23,26,28H,4-7,13-16H2,1-2H3,(H,29,31)/p+1