2-[(2S)-4-(cyclopropylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclopropylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclopropylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclopropylmethyl)-1-[(4-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclopropylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclopropylmethyl)-1-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3CC3

InChI

InChI=1S/C19H30N2O2/c1-2-23-19-7-5-17(6-8-19)14-21-11-10-20(13-16-3-4-16)15-18(21)9-12-22/h5-8,16,18,22H,2-4,9-15H2,1H3/p+1/t18-/m0/s1