[2-[(3E,4R,5S)-3-indol-3-ylidene-5-(4-methoxyphenyl)-4-oxidanyl-pyrazolidin-1-yl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: [2-[(3E,4R,5S)-3-indol-3-ylidene-5-(4-methoxyphenyl)-4-oxidanyl-pyrazolidin-1-yl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: [2-[(3E,4R,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-[(3E,4R,5S)-4-hydroxy-3-(3-indolylidene)-5-(4-methoxyphenyl)-1-pyrazolidinyl]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: [2-[(3E,4R,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxoethyl]-propan-2-ylazanium Traditional Name: [2-[(3E,4R,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-keto-ethyl]-isopropyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(=O)N1C(C(C(=C2C=NC3=CC=CC=C32)N1)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)[NH2+]CC(=O)N1[C@H]([C@H](/C(=C/2\C=NC3=CC=CC=C32)/N1)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-14(2)24-13-20(28)27-22(15-8-10-16(30-3)11-9-15)23(29)21(26-27)18-12-25-19-7-5-4-6-17(18)19/h4-12,14,22-24,26,29H,13H2,1-3H3/p+1/b21-18-/t22-,23-/m0/s1