4-(3-methyl-4-propan-2-yl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(3-methyl-4-propan-2-yl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(4-isopropyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH2+]CC2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH2+]CC2)C(C)C

InChI

InChI=1S/C18H28N2O2/c1-14(2)17-7-6-16(13-15(17)3)22-12-4-5-18(21)20-10-8-19-9-11-20/h6-7,13-14,19H,4-5,8-12H2,1-3H3/p+1