1-piperazin-4-ium-1-yl-4-(4-propylphenoxy)butan-1-one

Systemtic Name: 1-piperazin-4-ium-1-yl-4-(4-propylphenoxy)butan-1-one Openeye Name: 1-piperazin-4-ium-1-yl-4-(4-propylphenoxy)butan-1-one CAS Name: 1-(1-piperazin-4-iumyl)-4-(4-propylphenoxy)-1-butanone IUPAC Name: 1-piperazin-4-ium-1-yl-4-(4-propylphenoxy)butan-1-one Traditional Name: 1-piperazin-4-ium-1-yl-4-(4-propylphenoxy)butan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H26N2O2/c1-2-4-15-6-8-16(9-7-15)21-14-3-5-17(20)19-12-10-18-11-13-19/h6-9,18H,2-5,10-14H2,1H3/p+1