(3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one

Systemtic Name: (3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Openeye Name: (3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one CAS Name: (3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)-1-propanone IUPAC Name: (3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Traditional Name: (3S)-1-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCCN(CC2)C(=O)CC(C3=CC(=CC=C3)O)C4=CC=CC=C4O

Isomeric SMILES

C1CCC(C1)[NH+]2CCCN(CC2)C(=O)C[C@@H](C3=CC(=CC=C3)O)C4=CC=CC=C4O

InChI

InChI=1S/C25H32N2O3/c28-21-10-5-7-19(17-21)23(22-11-3-4-12-24(22)29)18-25(30)27-14-6-13-26(15-16-27)20-8-1-2-9-20/h3-5,7,10-12,17,20,23,28-29H,1-2,6,8-9,13-16,18H2/p+1/t23-/m0/s1