2-chloranyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]amine Formula: C20H26ClN4O3+ MolecularWeight: 405.89844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H25ClN4O3/c1-28-18-6-3-16(4-7-18)24-13-11-23(12-14-24)10-2-9-22-20-8-5-17(25(26)27)15-19(20)21/h3-8,15,22H,2,9-14H2,1H3/p+1