2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(6-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-29-23-6-2-4-19(15-23)17-27-12-11-26(18-22(27)9-13-28)16-20-7-8-24-21(14-20)5-3-10-25-24/h2-8,10,14-15,22,28H,9,11-13,16-18H2,1H3/p+1/t22-/m0/s1