dicyclohexyl-[(2S)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: dicyclohexyl-[(2S)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: dicyclohexyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-indol-1-yl)propyl]ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-1-indolyl)propyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-indol-1-yl)propyl]ammonium Formula: C36H45N2O+ MolecularWeight: 521.7553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC(C[NH+](C5CCCCC5)C6CCCCC6)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C[C@@H](C[NH+](C5CCCCC5)C6CCCCC6)O

InChI

InChI=1S/C36H44N2O/c1-27-22-23-34-33(24-27)35(28-14-6-2-7-15-28)36(29-16-8-3-9-17-29)38(34)26-32(39)25-37(30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-3,6-9,14-17,22-24,30-32,39H,4-5,10-13,18-21,25-26H2,1H3/p+1/t32-/m1/s1