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N1,N1-diethyl-N4-(pyren-1-ylmethyl)pentane-1,4-diamine hydrochloride
N1,N1-diethyl-N4-(pyren-1-ylmethyl)pentane-1,4-diamine hydrochloride
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)CCCC(C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl
Isomeric SMILES
CCN(CC)CCCC(C)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl
InChI
InChI=1S/C26H32N2.ClH/c1-4-28(5-2)17-7-8-19(3)27-18-23-14-13-22-12-11-20-9-6-10-21-15-16-24(23)26(22)25(20)21;/h6,9-16,19,27H,4-5,7-8,17-18H2,1-3H3;1H
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