4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)-2-methylbenzaldehyde IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methylbenzaldehyde Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C3CCCC3)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C3CCCC3)C=O

InChI

InChI=1S/C17H24N2O/c1-14-12-17(7-6-15(14)13-20)19-10-8-18(9-11-19)16-4-2-3-5-16/h6-7,12-13,16H,2-5,8-11H2,1H3/p+1