2-[(2S)-4-[(3-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methylphenyl)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-(m-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methylphenyl)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-(3-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H39N3O+2 MolecularWeight: 361.56456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(C(C2)CCO)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN([C@H](C2)CCO)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H37N3O/c1-18(2)24-10-7-21(8-11-24)25-13-12-23(17-22(25)9-14-26)16-20-6-4-5-19(3)15-20/h4-6,15,18,21-22,26H,7-14,16-17H2,1-3H3/p+2/t22-/m0/s1