2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(8-methoxy-2H-chromen-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H41N3O3+2 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C25H39N3O3/c1-19(2)27-10-7-22(8-11-27)28-13-12-26(17-23(28)9-14-29)16-20-15-21-5-4-6-24(30-3)25(21)31-18-20/h4-6,15,19,22-23,29H,7-14,16-18H2,1-3H3/p+2/t23-/m0/s1