2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(diethylamino)phenol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(diethylamino)phenol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(diethylamino)phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-(diethylamino)phenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(diethylamino)phenol Traditional Name: 5-(diethylamino)-2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H31N3O3/c1-3-26(4-2)20-7-6-19(21(27)14-20)16-25-11-9-24(10-12-25)15-18-5-8-22-23(13-18)29-17-28-22/h5-8,13-14,27H,3-4,9-12,15-17H2,1-2H3/p+1