1-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]piperazin-4-ium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCN2CC[NH2+]CC2)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCN2CC[NH2+]CC2)C(C)C

InChI

InChI=1S/C17H28N2O/c1-14(2)16-11-15(3)12-17(13-16)20-10-4-7-19-8-5-18-6-9-19/h11-14,18H,4-10H2,1-3H3/p+1