[(2S)-3-[2-(4-methoxyphenyl)carbonyl-3-methyl-indol-1-yl]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[2-(4-methoxyphenyl)carbonyl-3-methyl-indol-1-yl]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-3-[2-(4-methoxybenzoyl)-3-methyl-indol-1-yl]propyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-indolyl]propyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-hydroxy-3-[2-(4-methoxybenzoyl)-3-methylindol-1-yl]propyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-3-(3-methyl-2-p-anisoyl-indol-1-yl)propyl]-isopropyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(C[NH2+]C(C)C)O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C[C@H](C[NH2+]C(C)C)O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O3/c1-15(2)24-13-18(26)14-25-21-8-6-5-7-20(21)16(3)22(25)23(27)17-9-11-19(28-4)12-10-17/h5-12,15,18,24,26H,13-14H2,1-4H3/p+1/t18-/m0/s1