4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-carbaldehyde Openeye Name: 4-(1-phenethyl-4-piperidyl)piperazin-4-ium-1-carbaldehyde CAS Name: 4-(1-phenethyl-4-piperidinyl)-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(1-phenethyl-4-piperidyl)piperazin-4-ium-1-carbaldehyde Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c22-16-20-12-14-21(15-13-20)18-7-10-19(11-8-18)9-6-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2/p+1