[4-[[2-(3-azanylpropoxy)-5-methoxy-phenyl]methyl]piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [4-[[2-(3-azanylpropoxy)-5-methoxy-phenyl]methyl]piperazin-1-ium-1-ylidene]methanediamine Openeye Name: [4-[[2-(3-aminopropoxy)-5-methoxy-phenyl]methyl]piperazin-1-ium-1-ylidene]methanediamine CAS Name: [4-[[2-(3-aminopropoxy)-5-methoxyphenyl]methyl]-1-piperazin-1-iumylidene]methanediamine IUPAC Name: [4-[[2-(3-aminopropoxy)-5-methoxyphenyl]methyl]piperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[4-[2-(3-aminopropoxy)-5-methoxy-benzyl]piperazin-1-ium-1-ylidene]methyl]amine Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCN)CN2CC[N+](=C(N)N)CC2

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCN)CN2CC[N+](=C(N)N)CC2

InChI

InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+1